2-chloro-6-[(1-methylimidazol-2-yl)methoxy]benzaldehyde

C12H11ClN2O2 — CID 60791778

IUPAC2-chloro-6-[(1-methylimidazol-2-yl)methoxy]benzaldehyde
SMILESCn1ccnc1COc1cccc(Cl)c1C=O
InChIInChI=1S/C12H11ClN2O2/c1-15-6-5-14-12(15)8-17-11-4-2-3-10(13)9(11)7-16/h2-7H,8H2,1H3
InChIKeyXSJJTTDTMOISLE-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.46
Rot. Bonds4

About 2-chloro-6-[(1-methylimidazol-2-yl)methoxy]benzaldehyde

2-chloro-6-[(1-methylimidazol-2-yl)methoxy]benzaldehyde (PubChem CID 60791778) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-chloro-6-[(1-methylimidazol-2-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name2-chloro-6-[(1-methylimidazol-2-yl)methoxy]benzaldehyde
PubChem CID60791778
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name2-chloro-6-[(1-methylimidazol-2-yl)methoxy]benzaldehyde
SMILESCn1ccnc1COc1cccc(Cl)c1C=O
InChIInChI=1S/C12H11ClN2O2/c1-15-6-5-14-12(15)8-17-11-4-2-3-10(13)9(11)7-16/h2-7H,8H2,1H3
InChIKeyXSJJTTDTMOISLE-UHFFFAOYSA-N
XLogP2.46
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]benzaldehyde
CID 60792234
N-[[2-chloro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 114319361
2-chloro-6-[(4-chlorophenyl)methoxy]benzaldehyde
CID 60791930
2-chloro-6-heptoxybenzaldehyde
CID 45282902
3-chloro-4-[(1-methylimidazol-2-yl)methoxy]aniline
CID 11459043
2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
CID 54919221
1-[3-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608705
2-chloro-6-(4-methoxybutoxy)benzaldehyde
CID 104647699
2-chloro-6-(2,2-diethoxyethoxy)benzaldehyde
CID 114459538
2-chloro-6-[(3,4-dimethoxyphenyl)methoxy]benzaldehyde
CID 60790504
2-[(2-tert-butyl-3-fluorophenoxy)methyl]-1-methylimidazole
CID 122606420
2-chloro-6-(2-ethylsulfonylethoxy)benzaldehyde
CID 60790501

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(1-methylimidazol-2-yl)methoxy]benzaldehyde?
The IUPAC name of 2-chloro-6-[(1-methylimidazol-2-yl)methoxy]benzaldehyde (CID 60791778) is 2-chloro-6-[(1-methylimidazol-2-yl)methoxy]benzaldehyde.
What is the SMILES notation for 2-chloro-6-[(1-methylimidazol-2-yl)methoxy]benzaldehyde?
The canonical SMILES for 2-chloro-6-[(1-methylimidazol-2-yl)methoxy]benzaldehyde is Cn1ccnc1COc1cccc(Cl)c1C=O.
What is the InChIKey of 2-chloro-6-[(1-methylimidazol-2-yl)methoxy]benzaldehyde?
The InChIKey is XSJJTTDTMOISLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-15-6-5-14-12(15)8-17-11-4-2-3-10(13)9(11)7-16/h2-7H,8H2,1H3.
What are the key properties of 2-chloro-6-[(1-methylimidazol-2-yl)methoxy]benzaldehyde?
2-chloro-6-[(1-methylimidazol-2-yl)methoxy]benzaldehyde has a molecular weight of 250.69 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(1-methylimidazol-2-yl)methoxy]benzaldehyde is sourced from PubChem (CID 60791778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).